[4-[(Z)-(5-oxo-3-phenyl-1,2-oxazol-4-ylidene)methyl]phenyl] 2,4-dichlorobenzoate

Formula:C23H13NO4Cl2 Mutagenic:high Tumorigenic:none Reproductive Effective:high [4-[(Z)-(5-oxo-3-phenyl-1,2-oxazol-4-ylidene)methyl]phenyl] 2,4-dichlorobenzoate is not a drug-like molecule.

MolName	[4-[(Z)-(5-oxo-3-phenyl-1,2-oxazol-4-ylidene)methyl]phenyl] 2,4-dichlorobenzoate
MolecularFormula	C23H13NO4Cl2
Smiles	O=C(c(ccc(Cl)c1)c1Cl)Oc1ccc(/C=C(/C(c2ccccc2)=NO2)\C2=O)cc1
InChI	InChI=1S/C23H13Cl2NO4/c24-16-8-11-18(20(25)13-16)22(27)29-17-9-6-14(7-10-17)12-19-21(26-30-23(19)28)15-4-2-1-3-5-15/h1-13H
InChIK	HKTREAXSELOJGV-UHFFFAOYSA-N
TotalMolweight	438.265
Molweight	438.265
MonoisotopicMass	437.022163
CLogP	6.4332
CLogS	-7.113
H Acceptors	5
TotalSurfaceArea	313.3
Relative PSA	0.18382
PolarSurfaceArea	64.96
Druglikeness	-1.1752
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	low
Nasty Functions	twice activated DB
Shape Index	0.6
Fragments	1
Non HAtoms	30
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	2
Symmetricatoms	4
StereoCon

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